SCHEMBL14360475

SCHEMBL14360475

CC(=O)N1CCc2nc(C(=O)NC3CN(C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.65
F2 P00734 2/20 0.65
F5 P12259 1/20 0.65
F9 P00740 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
F7 P08709 1/20 0.48
PRSS3 P35030 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2705164 1.00 F10 (0.65) F10F2F5F9PRSS1
Hydrochloric Acid SCHEMBL210518 0.99 F10 (0.64) F10F2F5F9PRSS1
SCHEMBL2706196 0.92 F10 (0.75) F10F2F5F9PRSS1
Hydrochloric Acid SCHEMBL210900 0.92 F10 (0.74) F10F2F5F9PRSS1
SCHEMBL1503757 0.91 F10 (0.71) F10F2F5F9PRSS1
Hydrochloric Acid SCHEMBL210952 0.90 F10 (0.70) F10F2F5F9PRSS1
SCHEMBL211209 0.90 F10 (0.61) F10F2F5F9PRSS1
SCHEMBL2706279 0.89 F10 (0.64) F10F2F5F9PRSS1
Hydrochloric Acid SCHEMBL209378 0.88 F10 (0.64) F10F2F5F9PRSS1
SCHEMBL2706276 0.86 F10 (0.60) F10F2F5F9PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed